6BDE

Crystal structure of Fe(II) unliganded H-NOX protein mutant A71G from K. algicida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977
Spacegroup name	P 21 21 21
Unit cell lengths	48.794, 56.730, 68.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.791 - 1.641
R-factor	0.2117
Rwork	0.210
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bdd
RMSD bond length	0.005
RMSD bond angle	2.816
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.640	4.480	1.640
Rmerge	0.081	0.067	0.530
Rmeas	0.085	0.070	0.564
Rpim	0.024	0.021	0.186
Number of reflections	23704	1304	1133
<I/σ(I)>	14.3
Completeness [%]	99.5	98.8	96.3
Redundancy	12.2	11.7	8.3
CC(1/2)		0.997	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris-HCl, pH 8.5, 0.3 M LiCl, 34% PEG 6000